Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 2/20 | 0.37 |
| ▸ | GART | P22102 | 1/20 | 0.37 |
| ▸ | ATIC | P31939 | 1/20 | 0.37 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27597838 | 1.00 | CXCR4 (0.47) | CXCR4CTNNB1WNT3ADHFRROCK2 | |
| SCHEMBL6018116 | 0.84 | CXCR4 (0.53) | CXCR4NPC1RAB9AFOLH1KMT2A | |
| SCHEMBL27566287 | 0.84 | CXCR4 (0.53) | CXCR4NPC1RAB9AFOLH1KMT2A | |
| SCHEMBL6018220 | 0.83 | CXCR4 (0.51) | CXCR4DHFRTYMSNPC1RAB9A | |
| SCHEMBL6671573 | 0.82 | CXCR4 (0.51) | CXCR4DHFRNPC1RAB9AFOLH1 | |
| Phenylhydrazine SCHEMBL6690774 | 0.80 | CXCR4 (0.50) | CXCR4DHFRTYMSNPC1RAB9A | |
| SCHEMBL6018262 | 0.77 | CXCR4 (0.57) | CXCR4DHFRTYMSNPC1RAB9A | |
| SCHEMBL6840697 | 0.77 | CXCR4 (0.46) | CXCR4FOLH1KMT2AMAPK14 | |
| SCHEMBL6670076 | 0.76 | CXCR4 (0.48) | CXCR4DHFRTYMSNPC1RAB9A | |
| Tryptamine SCHEMBL6670107 | 0.76 | CXCR4 (0.47) | CXCR4KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7098215-B2 | Nitrogenous compounds and antiviral drugs containing the same | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |
| US-20040157818-A1 | Cxcr4-antagonistic drugs composed of nitrogen-containing compound | KUREHA CORPORATION (JP) | 2004-08-12 | — | — | US | disclosed |
| US-20040092556-A1 | Nitrogenous compounds and antiviral drugs containing the same | KUREHA CORPORATION (JP) | 2004-05-13 | — | — | US | disclosed |
| EP-1389460-A1 | CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND | Kureha Chemical Industry Co., Ltd. (JP) | 2004-02-18 | — | — | EP | disclosed |
| EP-1273571-A1 | NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME | Kureha Chemical Industry Co., Ltd. (JP) | 2003-01-08 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040092556-A1 | Nitrogenous compounds and antiviral drugs containing the same | NSUN2, ZC3HAV1L, PNP | CXCR4 2185/4885CTNNB1 1208/4885WNT3A 2895/4885 |
| US-20040157818-A1 | Cxcr4-antagonistic drugs composed of nitrogen-containing compound | CXCR4, CXCR1, CXCR2 | CXCR4 1/4885CTNNB1 352/4885WNT3A 574/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.